Chemical ID: 7346618

c1ccc2c(c1)c3c([nH]2)C4c5ccccc5C(=O)N4C(C3)C(=O)NC6CC6
Chemical ID:
7346618
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C4c5ccccc5C(=O)N4C(C3)C(=O)NC6CC6
InChi [?]:
InChI=1/C22H19N3O2/c26-21(23-12-9-10-12)18-11-16-13-5-3-4-8-17(13)24-19(16)20-14-6-1-2-7-15(14)22(27)25(18)20/h1-8,12,18,20,24H,9-11H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,6,12,15,3,26,27,21,25,5,11,16,7,4,20,8,10,22,17,24,9,19,23,18/E:(9,10)/rA:27cCCCCCCCCNCCCCCCCCONCCCONCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s17;s19;s7s20;s20;d22;s22;s24;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N3O2
All Atoms:46
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.5466
Area:549.903
Solvation:-3.20095
Coulombic:-51.1796
Bond Count [?]
All:32
Single:23
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:357.405
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.58
LogP (Chemaxon):2.43

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue